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CHEBI:216543 - 2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid

ChEBI IDCHEBI:216543
ChEBI Name2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H59NO17
Net Charge0
Average Mass765.847
Monoisotopic Mass765.37830
SMILESCCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCC(O)C(O)C(O)CNC(C)=O)OC(=O)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C35H59NO17/c1-5-6-9-20(3)33(53-31(46)17-23(35(50)51)15-29(43)44)27(52-30(45)16-22(34(48)49)14-28(41)42)13-19(2)12-24(38)10-7-8-11-25(39)32(47)26(40)18-36-21(4)37/h19-20,22-27,32-33,38-40,47H,5-18H2,1-4H3,(H,36,37)(H,41,42)(H,43,44)(H,48,49)(H,50,51)
InChIKeyIAKTYBFSIRNZQT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fusarium oxysporum (ncbitaxon:5507) - PubMed (10075786)
ChEBI Ontology
Outgoing Relation(s)
2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid (CHEBI:216543) has functional parent pentacarboxylic acid (CHEBI:35743)
2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid (CHEBI:216543) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
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8804336ChemSpider